# generated using pymatgen
data_NaSr3IrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83199823
_cell_length_b   6.83199823
_cell_length_c   6.83199919
_cell_angle_alpha   90.78646090
_cell_angle_beta   90.78646090
_cell_angle_gamma   90.78646404
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr3IrO6
_chemical_formula_sum   'Na2 Sr6 Ir2 O12'
_cell_volume   318.80080234
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Na  Na0  1  0.75000000  0.75000000  0.75000000  1.0
  Na  Na1  1  0.25000000  0.25000000  0.25000000  1.0
  Sr  Sr2  1  0.25000000  0.89213400  0.60786600  1.0
  Sr  Sr3  1  0.60786600  0.25000000  0.89213400  1.0
  Sr  Sr4  1  0.89213400  0.60786600  0.25000000  1.0
  Sr  Sr5  1  0.75000000  0.10786600  0.39213400  1.0
  Sr  Sr6  1  0.39213400  0.75000000  0.10786600  1.0
  Sr  Sr7  1  0.10786600  0.39213400  0.75000000  1.0
  Ir  Ir8  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir9  1  0.00000000  0.00000000  0.00000000  1.0
  O  O10  1  0.94432800  0.27935100  0.07678000  1.0
  O  O11  1  0.07678000  0.94432800  0.27935100  1.0
  O  O12  1  0.27935100  0.07678000  0.94432800  1.0
  O  O13  1  0.55567200  0.42322000  0.22064900  1.0
  O  O14  1  0.22064900  0.55567200  0.42322000  1.0
  O  O15  1  0.42322000  0.22064900  0.55567200  1.0
  O  O16  1  0.05567200  0.72064900  0.92322000  1.0
  O  O17  1  0.92322000  0.05567200  0.72064900  1.0
  O  O18  1  0.72064900  0.92322000  0.05567200  1.0
  O  O19  1  0.44432800  0.57678000  0.77935100  1.0
  O  O20  1  0.57678000  0.77935100  0.44432800  1.0
  O  O21  1  0.77935100  0.44432800  0.57678000  1.0